SCHEMBL22971899

SCHEMBL22971899

Cc1c(Oc2ccnc3cc(-c4ccncc4)ccc23)cccc1C(=O)NCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.46
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
AURKA O14965 2/20 0.43
MET P08581 2/20 0.43
KDR P35968 2/20 0.43
TEK Q02763 2/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
KLK1 P06870 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLKB1 P03952 1/20 0.42
PRKACA P17612 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRKX P51817 1/20 0.42
PRKCQ Q04759 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22972118 0.93 POLB (0.45) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22972116 0.93 POLB (0.45) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22971902 0.92 POLB (0.45) POLBMAPK1AURKAMETKDR
SCHEMBL22972117 0.91 POLB (0.44) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22971996 0.91 POLB (0.44) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22972096 0.91 POLB (0.44) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22971901 0.91 POLB (0.48) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL22972111 0.91 ROCK2 (0.47) POLBROCK2ROCK1PRKACA
SCHEMBL24724226 0.90 POLB (0.45) POLBMAPK1ROCK2ROCK1AURKA
SCHEMBL24724572 0.90 POLB (0.43) POLBMAPK1ROCK2ROCK1AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 US disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K POLB 2127/4885MAPK1 411/4885ROCK2 457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.